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125810-59-5 | 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 4,5-dihydrazide
CAS No: 125810-59-5 Catalog No: AG000OSD MDL No:
Product Description
Catalog Number:
AG000OSD
Chemical Name:
1H-1,2,3-Triazole-4,5-dicarboxylic acid, 4,5-dihydrazide
CAS Number:
125810-59-5
Molecular Formula:
C4H7N7O2
Molecular Weight:
185.1441
IUPAC Name:
2H-triazole-4,5-dicarbohydrazide
InChI:
InChI=1S/C4H7N7O2/c5-7-3(12)1-2(4(13)8-6)10-11-9-1/h5-6H2,(H,7,12)(H,8,13)(H,9,10,11)
InChI Key:
YFGFXLNOZXMDSD-UHFFFAOYSA-N
SMILES:
NNC(=O)c1[nH]nnc1C(=O)NN
NSC Number:
679057
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
185.147g/mol
Monoisotopic Mass:
185.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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